[(2R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[4-[4-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [(2R)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[4-[4-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [(1R)-2-[4-[4-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]piperazin-1-yl]-1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-2-oxo-ethyl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylic acid [(2R)-1-[4-[4-[(2,2-dimethyl-1-oxopropoxy)methoxy-oxomethyl]phenyl]-1-piperazinyl]-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-[4-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid [(1R)-1-(4-hydroxy-3,5-dimethyl-benzyl)-2-keto-2-[4-[4-(pivaloyloxymethoxycarbonyl)phenyl]piperazino]ethyl] ester Formula: C43H53N5O9 MolecularWeight: 783.90902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CC(C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OCOC(=O)C(C)(C)C)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[C@H](C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OCOC(=O)C(C)(C)C)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C43H53N5O9/c1-28-24-30(25-29(2)37(28)49)26-36(57-42(54)47-17-15-34(16-18-47)48-19-14-31-8-6-7-9-35(31)44-41(48)53)38(50)46-22-20-45(21-23-46)33-12-10-32(11-13-33)39(51)55-27-56-40(52)43(3,4)5/h6-13,24-25,34,36,49H,14-23,26-27H2,1-5H3,(H,44,53)/t36-/m1/s1